2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide

C20H24N2O2 — CID 20889247

IUPAC2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15-8-5-6-11-17(15)21-19(23)14-22-13-7-12-18(22)20(24)16-9-3-2-4-10-16/h2-4,7,9-10,12-13,15,17H,5-6,8,11,14H2,1H3,(H,21,23)
InChIKeyXBLRBVLXYJETDH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.41
Rot. Bonds5

About 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide

2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 20889247) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID20889247
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15-8-5-6-11-17(15)21-19(23)14-22-13-7-12-18(22)20(24)16-9-3-2-4-10-16/h2-4,7,9-10,12-13,15,17H,5-6,8,11,14H2,1H3,(H,21,23)
InChIKeyXBLRBVLXYJETDH-UHFFFAOYSA-N
XLogP3.41
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide (CID 20889247) is 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)Cn1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is XBLRBVLXYJETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-5-6-11-17(15)21-19(23)14-22-13-7-12-18(22)20(24)16-9-3-2-4-10-16/h2-4,7,9-10,12-13,15,17H,5-6,8,11,14H2,1H3,(H,21,23).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide?
2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 20889247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).